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(4-Chlorophenyl)acetic acid

ChemSpider ID: 13853446
Molecular Formula: C₈H₇ClO₂
Monoisotopic mass: 170.013458 Da
Systematic name

(4-Chlorophenyl)acetic acid
SMILES and InChIs

SMILES:

Clc1ccc(CC(O)=O)cc1 Copied

Std. InChI:

InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11) Copied

Std. InChIKey:

CDPKJZJVTHSESZ-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	2.1	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0.75	ACD/LogD (pH 7.4):	-1.02
ACD/BCF (pH 5.5):	1.04	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	14.74	ACD/KOC (pH 7.4):	1.00
#H bond acceptors:	2	#H bond donors:	1
#Freely Rotating Bonds:	2	Polar Surface Area:	37.3 Å²
Index of Refraction:	1.569	Molar Refractivity:	42.262 cm³
Molar Volume:	128.827 cm³	Polarizability:	16.754 10^-24cm³
Surface Tension:	49.3979988098145 dyne/cm	Density:	1.324 g/cm³
Flash Point:	131.689 °C	Enthalpy of Vaporization:	56.368 kJ/mol
Boiling Point:	294.136 °C at 760 mmHg	Vapour Pressure:	0.00100000004749745 mmHg at 25°C

Click to predict properties on the Chemicalize site

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